Chemical Properties of TEBUFENPYRAD (CAS 119168-77-3)

InChI

InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)

InChI Key

ZZYSLNWGKKDOML-UHFFFAOYSA-N

Formula

C18H24ClN3O

SMILES

CCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl

Molecular Weight¹

333.86

CAS

119168-77-3

Other Names

• 1H-Pyrazole-5-carboxamide, 4-chloro-N-[[4-(1,1-dimethylethyl)phenyl]methyl]-3-ethyl-1-methyl-

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
log10WS	-7.78		Crippen Calculated Property
logPoct/wat	3.863		Crippen Calculated Property
McVol	265.010	ml/mol	McGowan Calculated Property
Inp	[2497.00; 2505.00]
Inp	2497.00		NIST
Inp	2505.00		NIST
Inp	2505.00		NIST
Inp	2505.00		NIST
Inp	2497.00		NIST

Similar Compounds

Find more compounds similar to TEBUFENPYRAD.

Sources

• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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